7-benzyl-1-(benzylamino)-3-(2-hydroxyethylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile

C25H27N5O — CID 651319

IUPAC7-benzyl-1-(benzylamino)-3-(2-hydroxyethylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
SMILESN#Cc1c(NCCO)nc(NCc2ccccc2)c2c1CCN(Cc1ccccc1)C2
InChIInChI=1S/C25H27N5O/c26-15-22-21-11-13-30(17-20-9-5-2-6-10-20)18-23(21)25(29-24(22)27-12-14-31)28-16-19-7-3-1-4-8-19/h1-10,31H,11-14,16-18H2,(H2,27,28,29)
InChIKeyPPCKVFYTPXMPAJ-UHFFFAOYSA-N
MW413.53 g/mol
LogP3.53
Rot. Bonds8

About 7-benzyl-1-(benzylamino)-3-(2-hydroxyethylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile

7-benzyl-1-(benzylamino)-3-(2-hydroxyethylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile (PubChem CID 651319) has the molecular formula C25H27N5O and a molecular weight of 413.53 g/mol. Its IUPAC name is 7-benzyl-1-(benzylamino)-3-(2-hydroxyethylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile.

Molecular Properties

Compound Name7-benzyl-1-(benzylamino)-3-(2-hydroxyethylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
PubChem CID651319
Molecular FormulaC25H27N5O
Molecular Weight413.53 g/mol
Exact Mass413.22
IUPAC Name7-benzyl-1-(benzylamino)-3-(2-hydroxyethylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
SMILESN#Cc1c(NCCO)nc(NCc2ccccc2)c2c1CCN(Cc1ccccc1)C2
InChIInChI=1S/C25H27N5O/c26-15-22-21-11-13-30(17-20-9-5-2-6-10-20)18-23(21)25(29-24(22)27-12-14-31)28-16-19-7-3-1-4-8-19/h1-10,31H,11-14,16-18H2,(H2,27,28,29)
InChIKeyPPCKVFYTPXMPAJ-UHFFFAOYSA-N
XLogP3.53
TPSA84.21 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.53
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-benzyl-1-(benzylamino)-3-(2-hydroxyethylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
The IUPAC name of 7-benzyl-1-(benzylamino)-3-(2-hydroxyethylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile (CID 651319) is 7-benzyl-1-(benzylamino)-3-(2-hydroxyethylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile.
What is the SMILES notation for 7-benzyl-1-(benzylamino)-3-(2-hydroxyethylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
The canonical SMILES for 7-benzyl-1-(benzylamino)-3-(2-hydroxyethylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile is N#Cc1c(NCCO)nc(NCc2ccccc2)c2c1CCN(Cc1ccccc1)C2.
What is the InChIKey of 7-benzyl-1-(benzylamino)-3-(2-hydroxyethylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
The InChIKey is PPCKVFYTPXMPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O/c26-15-22-21-11-13-30(17-20-9-5-2-6-10-20)18-23(21)25(29-24(22)27-12-14-31)28-16-19-7-3-1-4-8-19/h1-10,31H,11-14,16-18H2,(H2,27,28,29).
What are the key properties of 7-benzyl-1-(benzylamino)-3-(2-hydroxyethylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
7-benzyl-1-(benzylamino)-3-(2-hydroxyethylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile has a molecular weight of 413.53 g/mol, XLogP of 3.53, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-1-(benzylamino)-3-(2-hydroxyethylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile is sourced from PubChem (CID 651319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).